ComputaBio Has Launched Virtual Screening Service to Assist Drug Design

The drug design team of ComputaBio, powered by years of experience in computational biology and chemistry, has expanded their service portfolio to assist drug design and introduces virtual screening service to global drug development scientists.

Cost-effective drug design is always invited for scientists who want to make the best use of financial investment in drug discovery and development. Virtual screening, VS in short, has become an increasingly popular computational approach to assist drug design since this technique can quickly and economically select novel actives from large libraries of small molecules and drug targets, whether used in conjunction with HTS or alone. For companies without access to routine HTS resource, virtual screening methods are crucial in the selection of active compounds.

Virtual screening methods are mainly categorized into two types: structure-based virtual screening (SBVS) and ligand-based virtual screening (LBVS). The former is virtual screening based on molecular docking, while the latter is virtual screening based on pharmacophore models. Further categories also include reverse virtual screening and 3D-QSAR. The biological information related to the target decides which method to take, that could bring with better raw data and benefit the following biological data analysis.

“Using virtual screening methods enables us to quickly select the active compounds from thousands to millions of molecules with less ineffective labor in a shorter period.” Says Gary Williams, Senior Scientist of ComputaBio, “And the techniques bring a positive rate of about 5%-30%, bigger than that by using traditional experimental methods. Scientists no doubts are willing to try the more efficient methods.”

ComputaBio provides various types of virtual screening methods, including (but are not limited to):

• Structure-based Virtual Screening (SBVS)
• Ligand-based Virtual Screening (LBVS)
• Reverse Virtual Screening
• 3D-QSAR 

“We have abundant database resources of over 4 million compounds to pick from and an experienced molecular simulation and drug design team ready to help.” Introduces Gary, “We’re happy to launch virtual screening service and help researchers save time as well as development funds.”

To better support drug design, the company also provides molecular dynamics simulations and other popular computational biology solutions. To learn more about the company and its newly launched virtual screening service, visit https://www.computabio.com/. The company offers free quotation for any specific inquiry via email or directly sent on the service website.

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